Molecule Details
| InChIKey | SSNQAUBBJYCSMY-KNTMUCJRSA-N |
|---|---|
| Compound Name | Hypothemycin |
| Canonical SMILES | COc1cc(O)c2c(c1)[C@H]1O[C@@H]1C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.0 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07905 |
|---|---|
| Drug Name | Hypothemycin |
| CAS Number | 76958-67-3 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Benzene Derivatives Biological Factors Lactones Mycotoxins Phenols Resorcinols Toxins, Biological
Cross-references: ChEBI: 83275 CHEMBL471474 ChemSpider: 8105274 PDB: HMY PubChem:9929643 PubChem:99444376 ZINC: ZINC000034034438
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49116 | NR2C2 | Homo sapiens | Human | PF00104 PF00105 | 7.5 | IC50 | ChEMBL |
| Q15750 | TAB1 | Homo sapiens | Human | PF00481 | 7.5 | IC50 | ChEMBL;BindingDB |
| O43318 | MAP3K7 | Homo sapiens | Human | PF07714 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q15139 | PRKD1 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.3 | IC50 | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P28482 | MAPK1 | Mitogen-activated protein kinase 1 | binder | targets |